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Table 6 Total number of datapoints for each dinucleotide step for which the values of tilt or roll lie beyond 3σ of the mean values for these parameters for the free B-DNA dataset, used by Marathe et al. [25]

From: An ensemble of B-DNA dinucleotide geometries lead to characteristic nucleosomal DNA structure and provide plasticity required for gene expression

  Number of kinks of dinucleotide steps with
  Minor groove facing the histone octamer Backbone facing the histone octamer Major groove facing the histone octamer
Step (Region I) (Region II) (Region III)
  BI/BI BI/BII BII/BII BI/BI BI/BII BII/BII BI/BI BI/BII BII/BII
AA/TT 4 (1.7) 10 (14.9) 4 (50.0) 3 (2.5) 3 (14.3) 1 (100.0) 12 (4.2) 3 (5.5) 0 (0.0)
AG/CT 5 (4.8) 6 (5.0) 4 (8.5) 2 (6.9) 2 (100.0) NA 26 (18.7) 4 (10.5) NA
GA/TC 2 (2.4) 13 (11.1) 0 (0.0) 7 (9.6) 3 (9.7) 1 (33.3) 11 (7.2) 6 (11.1) 0 (0.0)
GG/CC 1 (1.4) 27 (18.0) 14 (50.0) 11 (26.2) 3 (18.8) 0 (0.0) 20 (26.7) 5 (38.5) NA
AC/GT 0 (0.0) 0 (0.0) NA 1 (1.7) 0 (0.0) NA 7 (2.6) 3 (15.0) NA
AT/AT 0 (0.0) 0 (0.0) NA 0 (0.0) 1 (25.0) NA 4 (2.9) 0 (0.0) NA
GC/GC 3 (9.4) 6 (5.9) 2 (16.7) 1 (3.4) 1 (3.6) NA 3 (11.5) 0 (0.0) NA
CA/TG 1 (1.9) 7 (10.8) 62 (51.7) 7 (9.7) 7 (8.5) 13 (24.1) 41 (25.9) 13 (13.1) 3 (5.9)
CG/CG 0 (0.0) 0 (0.0) 0 (0.0) NA NA NA 0 (0.0) 0 (0.0) NA
TA/TA 0 (0.0) 0 (0.0) 1 (100.0) 0 (0.0) 0 (0.0) 0 (0.0) 11 (13.4) 10 (34.5) 0 (0.0)
Overall 16 (2.2) 69 (10.4) 87 (38.2) 32 (5.8) 20 (10.0) 15 (25.0) 135 (10.1) 44 (13.9) 3 (5.5)
  1. The cutoff values used are: tilt < -7.2° or tilt > 6.0°, and roll < -14.7° or roll > 17.1°.
  2. The numbers in parentheses denote the population as percentages, of the total number of datapoints for the respective step in the given conformation. The rest of the specifications are as described in the caption for table 3.